3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile

C11H9FN2O2 — CID 117010511

IUPAC3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile
SMILESN#CC1CCN(c2cccc(F)c2)C(=O)O1
InChIInChI=1S/C11H9FN2O2/c12-8-2-1-3-9(6-8)14-5-4-10(7-13)16-11(14)15/h1-3,6,10H,4-5H2
InChIKeyGGYBTQBJWQAXJJ-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.06
Rot. Bonds1

About 3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile

3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile (PubChem CID 117010511) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile
PubChem CID117010511
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile
SMILESN#CC1CCN(c2cccc(F)c2)C(=O)O1
InChIInChI=1S/C11H9FN2O2/c12-8-2-1-3-9(6-8)14-5-4-10(7-13)16-11(14)15/h1-3,6,10H,4-5H2
InChIKeyGGYBTQBJWQAXJJ-UHFFFAOYSA-N
XLogP2.06
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile?
The IUPAC name of 3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile (CID 117010511) is 3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile.
What is the SMILES notation for 3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile?
The canonical SMILES for 3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile is N#CC1CCN(c2cccc(F)c2)C(=O)O1.
What is the InChIKey of 3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile?
The InChIKey is GGYBTQBJWQAXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-8-2-1-3-9(6-8)14-5-4-10(7-13)16-11(14)15/h1-3,6,10H,4-5H2.
What are the key properties of 3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile?
3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile has a molecular weight of 220.20 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-oxo-1,3-oxazinane-6-carbonitrile is sourced from PubChem (CID 117010511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).